USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 142:sc= 0.347 USER MOD Set 1.2: A 47 TYR OH : rot 30:sc= 0.83 USER MOD Set 2.1: A 29 GLN : amide:sc= -4.65! C(o=-5.6!,f=-7.2!) USER MOD Set 2.2: A 32 THR OG1 : rot -8:sc= -0.979! USER MOD Single : A 28 GLN : amide:sc=-0.000472 X(o=-0.00047,f=0) USER MOD Single : A 37 ASN : amide:sc= -7.31! C(o=-7.3!,f=-8.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -52:sc= 0.105 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -93:sc= -0.237 USER MOD Single : A 64 SER OG : rot 39:sc= 0.958 USER MOD Single : A 71 SER OG : rot 96:sc= -0.554 USER MOD Single : A 73 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-1.5!) USER MOD Single : A 86 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.64) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -171:sc= -5.21! (180deg=-5.45!) USER MOD Single : A 92 ASN : amide:sc= -0.729 K(o=-0.73,f=-5.6!) USER MOD Single : A 124 SER OG : rot -53:sc= 0.00467 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 172:sc= -0.354 (180deg=-0.744) USER MOD Single : A 134 THR OG1 : rot 78:sc= 0.932 USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 94:sc= 0.547 USER MOD Single : A 140 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.341 6.538 4.577 1.00 0.00 N ATOM 19 CA GLN A 28 10.761 5.156 4.971 1.00 0.00 C ATOM 20 C GLN A 28 10.261 4.828 6.383 1.00 0.00 C ATOM 21 O GLN A 28 10.073 5.707 7.205 1.00 0.00 O ATOM 22 CB GLN A 28 12.291 5.191 4.939 1.00 0.00 C ATOM 23 CG GLN A 28 12.843 3.801 5.258 1.00 0.00 C ATOM 24 CD GLN A 28 14.371 3.859 5.312 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.936 4.390 6.246 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.066 3.331 4.342 1.00 0.00 N ATOM 0 HA GLN A 28 10.352 4.394 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.637 5.514 3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.663 5.916 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.448 3.451 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.522 3.088 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.590 2.885 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.085 3.364 4.368 1.00 0.00 H new ATOM 35 N GLN A 29 10.056 3.560 6.667 1.00 0.00 N ATOM 36 CA GLN A 29 9.577 3.147 8.022 1.00 0.00 C ATOM 37 C GLN A 29 10.608 2.204 8.677 1.00 0.00 C ATOM 38 O GLN A 29 11.139 1.338 8.009 1.00 0.00 O ATOM 39 CB GLN A 29 8.256 2.414 7.773 1.00 0.00 C ATOM 40 CG GLN A 29 7.083 3.364 8.026 1.00 0.00 C ATOM 41 CD GLN A 29 5.867 2.901 7.221 1.00 0.00 C ATOM 42 OE1 GLN A 29 5.348 1.825 7.445 1.00 0.00 O ATOM 43 NE2 GLN A 29 5.387 3.675 6.284 1.00 0.00 N ATOM 0 H GLN A 29 10.202 2.792 6.012 1.00 0.00 H new ATOM 0 HA GLN A 29 9.446 3.995 8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.222 2.044 6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.181 1.546 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.842 3.386 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.356 4.380 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.822 4.578 6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.577 3.376 5.741 1.00 0.00 H new ATOM 52 N PRO A 30 10.879 2.394 9.963 1.00 0.00 N ATOM 53 CA PRO A 30 11.868 1.530 10.647 1.00 0.00 C ATOM 54 C PRO A 30 11.240 0.206 11.107 1.00 0.00 C ATOM 55 O PRO A 30 11.512 -0.839 10.542 1.00 0.00 O ATOM 56 CB PRO A 30 12.317 2.376 11.835 1.00 0.00 C ATOM 57 CG PRO A 30 11.197 3.335 12.112 1.00 0.00 C ATOM 58 CD PRO A 30 10.316 3.399 10.884 1.00 0.00 C ATOM 0 HA PRO A 30 12.693 1.239 9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.518 1.750 12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.239 2.910 11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.621 3.007 12.977 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.592 4.323 12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.278 3.173 11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.329 4.394 10.439 1.00 0.00 H new ATOM 66 N GLU A 31 10.411 0.239 12.126 1.00 0.00 N ATOM 67 CA GLU A 31 9.768 -1.014 12.631 1.00 0.00 C ATOM 68 C GLU A 31 8.259 -0.956 12.406 1.00 0.00 C ATOM 69 O GLU A 31 7.564 -0.180 13.039 1.00 0.00 O ATOM 70 CB GLU A 31 10.087 -1.049 14.127 1.00 0.00 C ATOM 71 CG GLU A 31 11.601 -1.129 14.326 1.00 0.00 C ATOM 72 CD GLU A 31 11.916 -1.258 15.816 1.00 0.00 C ATOM 73 OE1 GLU A 31 11.820 -0.260 16.510 1.00 0.00 O ATOM 74 OE2 GLU A 31 12.246 -2.354 16.238 1.00 0.00 O ATOM 0 H GLU A 31 10.152 1.087 12.631 1.00 0.00 H new ATOM 0 HA GLU A 31 10.133 -1.903 12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.692 -0.157 14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.603 -1.907 14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.005 -1.984 13.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.079 -0.238 13.919 1.00 0.00 H new ATOM 81 N THR A 32 7.752 -1.767 11.507 1.00 0.00 N ATOM 82 CA THR A 32 6.286 -1.764 11.228 1.00 0.00 C ATOM 83 C THR A 32 5.859 -3.138 10.699 1.00 0.00 C ATOM 84 O THR A 32 6.634 -3.804 10.025 1.00 0.00 O ATOM 85 CB THR A 32 6.113 -0.673 10.165 1.00 0.00 C ATOM 86 OG1 THR A 32 6.520 0.575 10.706 1.00 0.00 O ATOM 87 CG2 THR A 32 4.647 -0.584 9.727 1.00 0.00 C ATOM 0 H THR A 32 8.295 -2.431 10.955 1.00 0.00 H new ATOM 0 HA THR A 32 5.674 -1.571 12.109 1.00 0.00 H new ATOM 0 HB THR A 32 6.725 -0.921 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.688 0.476 11.666 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.539 0.195 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.333 -1.541 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.024 -0.343 10.588 1.00 0.00 H new ATOM 95 N GLU A 33 4.638 -3.569 10.986 1.00 0.00 N ATOM 96 CA GLU A 33 4.190 -4.894 10.478 1.00 0.00 C ATOM 97 C GLU A 33 3.075 -4.704 9.454 1.00 0.00 C ATOM 98 O GLU A 33 2.259 -3.801 9.554 1.00 0.00 O ATOM 99 CB GLU A 33 3.671 -5.625 11.717 1.00 0.00 C ATOM 100 CG GLU A 33 4.819 -5.830 12.710 1.00 0.00 C ATOM 101 CD GLU A 33 4.328 -6.639 13.915 1.00 0.00 C ATOM 102 OE1 GLU A 33 3.164 -6.510 14.261 1.00 0.00 O ATOM 103 OE2 GLU A 33 5.126 -7.375 14.471 1.00 0.00 O ATOM 0 H GLU A 33 3.952 -3.059 11.543 1.00 0.00 H new ATOM 0 HA GLU A 33 4.985 -5.449 9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.872 -5.049 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.246 -6.588 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.644 -6.350 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.202 -4.865 13.041 1.00 0.00 H new ATOM 110 N ALA A 34 3.047 -5.563 8.477 1.00 0.00 N ATOM 111 CA ALA A 34 2.015 -5.488 7.416 1.00 0.00 C ATOM 112 C ALA A 34 1.039 -6.666 7.445 1.00 0.00 C ATOM 113 O ALA A 34 1.432 -7.838 7.307 1.00 0.00 O ATOM 114 CB ALA A 34 2.790 -5.496 6.104 1.00 0.00 C ATOM 0 H ALA A 34 3.711 -6.329 8.369 1.00 0.00 H new ATOM 0 HA ALA A 34 1.403 -4.597 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.092 -5.443 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.460 -4.637 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.373 -6.414 6.031 1.00 0.00 H new ATOM 120 N VAL A 35 -0.229 -6.350 7.558 1.00 0.00 N ATOM 121 CA VAL A 35 -1.285 -7.403 7.503 1.00 0.00 C ATOM 122 C VAL A 35 -2.084 -7.157 6.193 1.00 0.00 C ATOM 123 O VAL A 35 -2.594 -6.084 5.986 1.00 0.00 O ATOM 124 CB VAL A 35 -2.125 -7.161 8.779 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.474 -7.907 8.747 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.331 -7.609 10.006 1.00 0.00 C ATOM 0 H VAL A 35 -0.577 -5.400 7.687 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.932 -8.434 7.484 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.340 -6.093 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.024 -7.703 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.058 -7.567 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.295 -8.979 8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.923 -7.438 10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.098 -8.670 9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.405 -7.038 10.068 1.00 0.00 H new ATOM 136 N LEU A 36 -2.136 -8.117 5.286 1.00 0.00 N ATOM 137 CA LEU A 36 -2.837 -7.896 3.970 1.00 0.00 C ATOM 138 C LEU A 36 -4.058 -8.813 3.713 1.00 0.00 C ATOM 139 O LEU A 36 -3.973 -10.024 3.726 1.00 0.00 O ATOM 140 CB LEU A 36 -1.763 -8.150 2.913 1.00 0.00 C ATOM 141 CG LEU A 36 -1.993 -7.221 1.718 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.679 -7.038 0.955 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.044 -7.833 0.787 1.00 0.00 C ATOM 0 H LEU A 36 -1.723 -9.043 5.402 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.258 -6.891 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.773 -7.978 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.795 -9.190 2.590 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.345 -6.253 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.842 -6.377 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.068 -6.600 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.327 -8.006 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.207 -7.171 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.694 -8.802 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.980 -7.963 1.330 1.00 0.00 H new ATOM 155 N ASN A 37 -5.187 -8.187 3.405 1.00 0.00 N ATOM 156 CA ASN A 37 -6.504 -8.867 3.034 1.00 0.00 C ATOM 157 C ASN A 37 -7.247 -9.547 4.199 1.00 0.00 C ATOM 158 O ASN A 37 -8.165 -10.303 3.950 1.00 0.00 O ATOM 159 CB ASN A 37 -6.159 -9.923 1.959 1.00 0.00 C ATOM 160 CG ASN A 37 -7.360 -10.153 1.039 1.00 0.00 C ATOM 161 OD1 ASN A 37 -8.488 -10.186 1.487 1.00 0.00 O ATOM 162 ND2 ASN A 37 -7.162 -10.315 -0.239 1.00 0.00 N ATOM 0 H ASN A 37 -5.255 -7.169 3.395 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.190 -8.094 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.302 -9.590 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.874 -10.860 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.954 -10.469 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.215 -10.287 -0.616 1.00 0.00 H new ATOM 169 N GLY A 38 -6.943 -9.237 5.442 1.00 0.00 N ATOM 170 CA GLY A 38 -7.704 -9.855 6.586 1.00 0.00 C ATOM 171 C GLY A 38 -6.783 -10.782 7.377 1.00 0.00 C ATOM 172 O GLY A 38 -6.817 -10.811 8.595 1.00 0.00 O ATOM 0 H GLY A 38 -6.206 -8.587 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.097 -9.075 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.559 -10.414 6.206 1.00 0.00 H new ATOM 176 N LYS A 39 -5.936 -11.510 6.690 1.00 0.00 N ATOM 177 CA LYS A 39 -4.972 -12.416 7.382 1.00 0.00 C ATOM 178 C LYS A 39 -3.665 -11.650 7.455 1.00 0.00 C ATOM 179 O LYS A 39 -3.240 -11.081 6.459 1.00 0.00 O ATOM 180 CB LYS A 39 -4.844 -13.645 6.481 1.00 0.00 C ATOM 181 CG LYS A 39 -3.992 -14.705 7.180 1.00 0.00 C ATOM 182 CD LYS A 39 -3.805 -15.904 6.250 1.00 0.00 C ATOM 183 CE LYS A 39 -3.083 -17.026 6.998 1.00 0.00 C ATOM 184 NZ LYS A 39 -2.998 -18.148 6.024 1.00 0.00 N ATOM 0 H LYS A 39 -5.872 -11.514 5.672 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.271 -12.723 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.831 -14.048 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.389 -13.366 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.023 -14.287 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.473 -15.021 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.773 -16.255 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.230 -15.610 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.092 -16.709 7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.632 -17.321 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.514 -18.955 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.956 -18.433 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.464 -17.841 5.186 1.00 0.00 H new ATOM 198 N GLY A 40 -3.063 -11.556 8.626 1.00 0.00 N ATOM 199 CA GLY A 40 -1.830 -10.728 8.736 1.00 0.00 C ATOM 200 C GLY A 40 -0.615 -11.413 8.139 1.00 0.00 C ATOM 201 O GLY A 40 -0.021 -12.299 8.725 1.00 0.00 O ATOM 0 H GLY A 40 -3.371 -12.009 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.990 -9.775 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.638 -10.505 9.786 1.00 0.00 H new ATOM 205 N LEU A 41 -0.193 -10.915 7.001 1.00 0.00 N ATOM 206 CA LEU A 41 1.042 -11.412 6.364 1.00 0.00 C ATOM 207 C LEU A 41 1.947 -10.210 6.063 1.00 0.00 C ATOM 208 O LEU A 41 1.633 -9.392 5.214 1.00 0.00 O ATOM 209 CB LEU A 41 0.566 -12.101 5.071 1.00 0.00 C ATOM 210 CG LEU A 41 1.760 -12.534 4.204 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.634 -13.530 4.971 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.242 -13.194 2.923 1.00 0.00 C ATOM 0 H LEU A 41 -0.669 -10.173 6.487 1.00 0.00 H new ATOM 0 HA LEU A 41 1.613 -12.103 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.041 -12.971 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.071 -11.420 4.505 1.00 0.00 H new ATOM 0 HG LEU A 41 2.356 -11.657 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.476 -13.830 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.006 -13.061 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.043 -14.409 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.086 -13.502 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.642 -14.067 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.628 -12.483 2.370 1.00 0.00 H new ATOM 224 N GLY A 42 3.061 -10.116 6.725 1.00 0.00 N ATOM 225 CA GLY A 42 4.015 -9.006 6.481 1.00 0.00 C ATOM 226 C GLY A 42 4.590 -8.507 7.806 1.00 0.00 C ATOM 227 O GLY A 42 3.872 -7.994 8.639 1.00 0.00 O ATOM 0 H GLY A 42 3.357 -10.778 7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.821 -9.345 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.511 -8.190 5.964 1.00 0.00 H new ATOM 231 N THR A 43 5.879 -8.638 7.996 1.00 0.00 N ATOM 232 CA THR A 43 6.527 -8.134 9.240 1.00 0.00 C ATOM 233 C THR A 43 7.904 -7.606 8.851 1.00 0.00 C ATOM 234 O THR A 43 8.759 -8.373 8.453 1.00 0.00 O ATOM 235 CB THR A 43 6.613 -9.347 10.178 1.00 0.00 C ATOM 236 OG1 THR A 43 7.248 -8.962 11.388 1.00 0.00 O ATOM 237 CG2 THR A 43 7.405 -10.487 9.526 1.00 0.00 C ATOM 0 H THR A 43 6.516 -9.079 7.332 1.00 0.00 H new ATOM 0 HA THR A 43 5.986 -7.327 9.734 1.00 0.00 H new ATOM 0 HB THR A 43 5.602 -9.701 10.382 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.303 -9.734 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.452 -11.335 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.911 -10.792 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.415 -10.146 9.301 1.00 0.00 H new ATOM 245 N GLY A 44 8.124 -6.303 8.922 1.00 0.00 N ATOM 246 CA GLY A 44 9.448 -5.760 8.500 1.00 0.00 C ATOM 247 C GLY A 44 9.409 -4.257 8.323 1.00 0.00 C ATOM 248 O GLY A 44 8.979 -3.512 9.194 1.00 0.00 O ATOM 0 H GLY A 44 7.450 -5.611 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.201 -6.019 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.751 -6.228 7.564 1.00 0.00 H new ATOM 252 N THR A 45 9.906 -3.815 7.203 1.00 0.00 N ATOM 253 CA THR A 45 9.971 -2.342 6.930 1.00 0.00 C ATOM 254 C THR A 45 9.180 -1.942 5.683 1.00 0.00 C ATOM 255 O THR A 45 9.130 -2.666 4.705 1.00 0.00 O ATOM 256 CB THR A 45 11.460 -2.032 6.739 1.00 0.00 C ATOM 257 OG1 THR A 45 12.071 -3.067 5.987 1.00 0.00 O ATOM 258 CG2 THR A 45 12.144 -1.924 8.103 1.00 0.00 C ATOM 0 H THR A 45 10.273 -4.408 6.458 1.00 0.00 H new ATOM 0 HA THR A 45 9.526 -1.780 7.751 1.00 0.00 H new ATOM 0 HB THR A 45 11.562 -1.087 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.734 -2.681 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.202 -1.704 7.963 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.680 -1.124 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.038 -2.867 8.639 1.00 0.00 H new ATOM 266 N LEU A 46 8.587 -0.773 5.714 1.00 0.00 N ATOM 267 CA LEU A 46 7.816 -0.275 4.538 1.00 0.00 C ATOM 268 C LEU A 46 8.547 0.917 3.915 1.00 0.00 C ATOM 269 O LEU A 46 8.823 1.899 4.581 1.00 0.00 O ATOM 270 CB LEU A 46 6.464 0.175 5.095 1.00 0.00 C ATOM 271 CG LEU A 46 5.532 0.550 3.937 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.078 0.408 4.384 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.789 1.999 3.509 1.00 0.00 C ATOM 0 H LEU A 46 8.606 -0.139 6.513 1.00 0.00 H new ATOM 0 HA LEU A 46 7.702 -1.038 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.020 -0.624 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.598 1.029 5.759 1.00 0.00 H new ATOM 0 HG LEU A 46 5.725 -0.115 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.416 0.675 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.888 -0.623 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.891 1.071 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.123 2.259 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.602 2.666 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.824 2.105 3.185 1.00 0.00 H new ATOM 285 N TYR A 47 8.842 0.841 2.639 1.00 0.00 N ATOM 286 CA TYR A 47 9.540 1.974 1.949 1.00 0.00 C ATOM 287 C TYR A 47 8.577 2.616 0.947 1.00 0.00 C ATOM 288 O TYR A 47 8.030 1.940 0.093 1.00 0.00 O ATOM 289 CB TYR A 47 10.740 1.356 1.215 1.00 0.00 C ATOM 290 CG TYR A 47 11.624 0.597 2.180 1.00 0.00 C ATOM 291 CD1 TYR A 47 12.677 1.244 2.833 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.383 -0.759 2.414 1.00 0.00 C ATOM 293 CE1 TYR A 47 13.490 0.532 3.724 1.00 0.00 C ATOM 294 CE2 TYR A 47 12.191 -1.471 3.301 1.00 0.00 C ATOM 295 CZ TYR A 47 13.246 -0.827 3.959 1.00 0.00 C ATOM 296 OH TYR A 47 14.046 -1.532 4.837 1.00 0.00 O ATOM 0 H TYR A 47 8.629 0.041 2.043 1.00 0.00 H new ATOM 0 HA TYR A 47 9.867 2.743 2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.387 0.685 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.317 2.141 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.864 2.292 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.570 -1.257 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.304 1.030 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.003 -2.519 3.480 1.00 0.00 H new ATOM 0 HH TYR A 47 14.382 -0.927 5.531 1.00 0.00 H new ATOM 306 N ILE A 48 8.362 3.906 1.050 1.00 0.00 N ATOM 307 CA ILE A 48 7.426 4.598 0.106 1.00 0.00 C ATOM 308 C ILE A 48 8.226 5.315 -0.987 1.00 0.00 C ATOM 309 O ILE A 48 9.168 6.033 -0.705 1.00 0.00 O ATOM 310 CB ILE A 48 6.647 5.600 0.971 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.887 4.852 2.070 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.643 6.364 0.100 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.247 5.856 3.029 1.00 0.00 C ATOM 0 H ILE A 48 8.795 4.511 1.748 1.00 0.00 H new ATOM 0 HA ILE A 48 6.753 3.905 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 48 7.349 6.301 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.119 4.217 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.567 4.197 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.092 7.074 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.177 6.902 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.945 5.660 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.707 5.320 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.024 6.472 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.553 6.493 2.480 1.00 0.00 H new ATOM 325 N ALA A 49 7.846 5.123 -2.227 1.00 0.00 N ATOM 326 CA ALA A 49 8.565 5.782 -3.356 1.00 0.00 C ATOM 327 C ALA A 49 7.571 6.565 -4.212 1.00 0.00 C ATOM 328 O ALA A 49 6.370 6.398 -4.091 1.00 0.00 O ATOM 329 CB ALA A 49 9.186 4.638 -4.157 1.00 0.00 C ATOM 0 H ALA A 49 7.062 4.533 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 49 9.322 6.488 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.734 5.045 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.870 4.077 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.398 3.976 -4.516 1.00 0.00 H new ATOM 335 N GLU A 50 8.065 7.417 -5.077 1.00 0.00 N ATOM 336 CA GLU A 50 7.156 8.230 -5.959 1.00 0.00 C ATOM 337 C GLU A 50 6.192 7.325 -6.749 1.00 0.00 C ATOM 338 O GLU A 50 6.567 6.670 -7.701 1.00 0.00 O ATOM 339 CB GLU A 50 8.084 9.001 -6.909 1.00 0.00 C ATOM 340 CG GLU A 50 8.947 8.026 -7.721 1.00 0.00 C ATOM 341 CD GLU A 50 10.202 8.746 -8.220 1.00 0.00 C ATOM 342 OE1 GLU A 50 10.105 9.923 -8.525 1.00 0.00 O ATOM 343 OE2 GLU A 50 11.238 8.107 -8.289 1.00 0.00 O ATOM 0 H GLU A 50 9.061 7.588 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 50 6.530 8.903 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.492 9.621 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.724 9.673 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.226 7.171 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.378 7.637 -8.566 1.00 0.00 H new ATOM 350 N SER A 51 4.942 7.288 -6.343 1.00 0.00 N ATOM 351 CA SER A 51 3.916 6.434 -7.039 1.00 0.00 C ATOM 352 C SER A 51 4.368 4.971 -7.080 1.00 0.00 C ATOM 353 O SER A 51 4.125 4.263 -8.041 1.00 0.00 O ATOM 354 CB SER A 51 3.777 6.998 -8.459 1.00 0.00 C ATOM 355 OG SER A 51 2.579 6.508 -9.044 1.00 0.00 O ATOM 0 H SER A 51 4.583 7.819 -5.550 1.00 0.00 H new ATOM 0 HA SER A 51 2.962 6.456 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.762 8.088 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.636 6.707 -9.064 1.00 0.00 H new ATOM 0 HG SER A 51 2.556 5.531 -8.973 1.00 0.00 H new ATOM 361 N ARG A 52 5.011 4.520 -6.033 1.00 0.00 N ATOM 362 CA ARG A 52 5.484 3.102 -5.973 1.00 0.00 C ATOM 363 C ARG A 52 5.796 2.734 -4.522 1.00 0.00 C ATOM 364 O ARG A 52 6.468 3.475 -3.828 1.00 0.00 O ATOM 365 CB ARG A 52 6.752 3.066 -6.825 1.00 0.00 C ATOM 366 CG ARG A 52 7.255 1.627 -6.933 1.00 0.00 C ATOM 367 CD ARG A 52 8.550 1.596 -7.750 1.00 0.00 C ATOM 368 NE ARG A 52 8.157 2.063 -9.107 1.00 0.00 N ATOM 369 CZ ARG A 52 8.118 1.219 -10.102 1.00 0.00 C ATOM 370 NH1 ARG A 52 7.270 0.228 -10.085 1.00 0.00 N ATOM 371 NH2 ARG A 52 8.930 1.366 -11.113 1.00 0.00 N ATOM 0 H ARG A 52 5.231 5.079 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 52 4.740 2.393 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.547 3.466 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.520 3.698 -6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.431 1.217 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.499 1.001 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.309 2.245 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.972 0.591 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 52 7.918 3.043 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.637 0.112 -9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.240 -0.431 -10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.594 2.140 -11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.900 0.707 -11.891 1.00 0.00 H new ATOM 385 N LEU A 53 5.308 1.603 -4.059 1.00 0.00 N ATOM 386 CA LEU A 53 5.571 1.194 -2.645 1.00 0.00 C ATOM 387 C LEU A 53 6.504 -0.017 -2.604 1.00 0.00 C ATOM 388 O LEU A 53 6.267 -1.016 -3.259 1.00 0.00 O ATOM 389 CB LEU A 53 4.194 0.835 -2.076 1.00 0.00 C ATOM 390 CG LEU A 53 4.071 1.365 -0.645 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.606 1.313 -0.205 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.917 0.503 0.294 1.00 0.00 C ATOM 0 H LEU A 53 4.741 0.950 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 53 6.058 1.983 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.409 1.262 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.056 -0.246 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 53 4.425 2.395 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.518 1.690 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.003 1.929 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.251 0.283 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.829 0.881 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.565 -0.528 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.961 0.541 -0.018 1.00 0.00 H new ATOM 404 N SER A 54 7.556 0.066 -1.825 1.00 0.00 N ATOM 405 CA SER A 54 8.513 -1.074 -1.709 1.00 0.00 C ATOM 406 C SER A 54 8.507 -1.588 -0.270 1.00 0.00 C ATOM 407 O SER A 54 8.758 -0.846 0.659 1.00 0.00 O ATOM 408 CB SER A 54 9.880 -0.495 -2.077 1.00 0.00 C ATOM 409 OG SER A 54 10.883 -1.471 -1.835 1.00 0.00 O ATOM 0 H SER A 54 7.792 0.882 -1.261 1.00 0.00 H new ATOM 0 HA SER A 54 8.254 -1.911 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.891 -0.197 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.079 0.401 -1.489 1.00 0.00 H new ATOM 0 HG SER A 54 11.760 -1.104 -2.071 1.00 0.00 H new ATOM 415 N TRP A 55 8.199 -2.849 -0.084 1.00 0.00 N ATOM 416 CA TRP A 55 8.146 -3.428 1.297 1.00 0.00 C ATOM 417 C TRP A 55 9.170 -4.547 1.467 1.00 0.00 C ATOM 418 O TRP A 55 9.398 -5.325 0.557 1.00 0.00 O ATOM 419 CB TRP A 55 6.733 -3.997 1.421 1.00 0.00 C ATOM 420 CG TRP A 55 6.208 -3.778 2.802 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.452 -2.726 3.168 1.00 0.00 C ATOM 422 CD2 TRP A 55 6.366 -4.601 4.000 1.00 0.00 C ATOM 423 NE1 TRP A 55 5.123 -2.853 4.504 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.661 -3.986 5.059 1.00 0.00 C ATOM 425 CE3 TRP A 55 7.038 -5.808 4.272 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.616 -4.541 6.334 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.992 -6.371 5.559 1.00 0.00 C ATOM 428 CH2 TRP A 55 6.280 -5.737 6.585 1.00 0.00 C ATOM 0 H TRP A 55 7.981 -3.506 -0.833 1.00 0.00 H new ATOM 0 HA TRP A 55 8.373 -2.679 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.076 -3.519 0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.741 -5.063 1.192 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.151 -1.914 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.548 -2.184 5.016 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.591 -6.304 3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 5.069 -4.047 7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 7.509 -7.298 5.758 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.247 -6.177 7.571 1.00 0.00 H new ATOM 439 N LEU A 56 9.753 -4.651 2.638 1.00 0.00 N ATOM 440 CA LEU A 56 10.729 -5.745 2.890 1.00 0.00 C ATOM 441 C LEU A 56 10.121 -6.732 3.885 1.00 0.00 C ATOM 442 O LEU A 56 9.672 -6.346 4.965 1.00 0.00 O ATOM 443 CB LEU A 56 11.981 -5.055 3.452 1.00 0.00 C ATOM 444 CG LEU A 56 13.147 -6.042 3.763 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.858 -6.797 5.052 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.362 -7.067 2.631 1.00 0.00 C ATOM 0 H LEU A 56 9.592 -4.024 3.426 1.00 0.00 H new ATOM 0 HA LEU A 56 10.981 -6.314 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.328 -4.309 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.714 -4.521 4.364 1.00 0.00 H new ATOM 0 HG LEU A 56 14.053 -5.443 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.677 -7.485 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.759 -6.088 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.931 -7.360 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.184 -7.732 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.453 -7.652 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.601 -6.543 1.706 1.00 0.00 H new ATOM 458 N ASP A 57 10.115 -8.000 3.520 1.00 0.00 N ATOM 459 CA ASP A 57 9.535 -9.053 4.404 1.00 0.00 C ATOM 460 C ASP A 57 10.551 -9.536 5.443 1.00 0.00 C ATOM 461 O ASP A 57 11.710 -9.795 5.149 1.00 0.00 O ATOM 462 CB ASP A 57 9.130 -10.199 3.475 1.00 0.00 C ATOM 463 CG ASP A 57 8.022 -11.022 4.137 1.00 0.00 C ATOM 464 OD1 ASP A 57 8.349 -11.962 4.841 1.00 0.00 O ATOM 465 OD2 ASP A 57 6.864 -10.696 3.926 1.00 0.00 O ATOM 0 H ASP A 57 10.493 -8.345 2.638 1.00 0.00 H new ATOM 0 HA ASP A 57 8.685 -8.666 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.783 -9.803 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.992 -10.832 3.263 1.00 0.00 H new ATOM 470 N GLY A 58 10.083 -9.659 6.661 1.00 0.00 N ATOM 471 CA GLY A 58 10.917 -10.101 7.820 1.00 0.00 C ATOM 472 C GLY A 58 11.653 -11.425 7.579 1.00 0.00 C ATOM 473 O GLY A 58 12.568 -11.751 8.319 1.00 0.00 O ATOM 0 H GLY A 58 9.113 -9.462 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.648 -9.325 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.279 -10.205 8.697 1.00 0.00 H new ATOM 477 N SER A 59 11.283 -12.197 6.572 1.00 0.00 N ATOM 478 CA SER A 59 11.982 -13.500 6.319 1.00 0.00 C ATOM 479 C SER A 59 13.235 -13.306 5.445 1.00 0.00 C ATOM 480 O SER A 59 13.757 -14.263 4.900 1.00 0.00 O ATOM 481 CB SER A 59 10.954 -14.362 5.589 1.00 0.00 C ATOM 482 OG SER A 59 10.845 -13.921 4.242 1.00 0.00 O ATOM 0 H SER A 59 10.530 -11.978 5.920 1.00 0.00 H new ATOM 0 HA SER A 59 12.327 -13.955 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.254 -15.409 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.986 -14.294 6.086 1.00 0.00 H new ATOM 0 HG SER A 59 10.118 -13.267 4.170 1.00 0.00 H new ATOM 488 N GLY A 60 13.721 -12.084 5.303 1.00 0.00 N ATOM 489 CA GLY A 60 14.930 -11.840 4.467 1.00 0.00 C ATOM 490 C GLY A 60 14.553 -11.786 2.994 1.00 0.00 C ATOM 491 O GLY A 60 15.377 -12.038 2.131 1.00 0.00 O ATOM 0 H GLY A 60 13.323 -11.251 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.402 -10.903 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.661 -12.631 4.633 1.00 0.00 H new ATOM 495 N LEU A 61 13.319 -11.459 2.703 1.00 0.00 N ATOM 496 CA LEU A 61 12.875 -11.383 1.282 1.00 0.00 C ATOM 497 C LEU A 61 12.155 -10.066 1.058 1.00 0.00 C ATOM 498 O LEU A 61 11.184 -9.771 1.724 1.00 0.00 O ATOM 499 CB LEU A 61 11.920 -12.563 1.092 1.00 0.00 C ATOM 500 CG LEU A 61 12.662 -13.877 1.346 1.00 0.00 C ATOM 501 CD1 LEU A 61 11.673 -15.040 1.292 1.00 0.00 C ATOM 502 CD2 LEU A 61 13.736 -14.072 0.273 1.00 0.00 C ATOM 0 H LEU A 61 12.599 -11.241 3.392 1.00 0.00 H new ATOM 0 HA LEU A 61 13.704 -11.430 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.076 -12.473 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.513 -12.554 0.081 1.00 0.00 H new ATOM 0 HG LEU A 61 13.131 -13.844 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.202 -15.976 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.907 -14.902 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.203 -15.073 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.265 -15.008 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.266 -14.104 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.443 -13.243 0.311 1.00 0.00 H new ATOM 514 N GLY A 62 12.631 -9.275 0.135 1.00 0.00 N ATOM 515 CA GLY A 62 11.987 -7.965 -0.134 1.00 0.00 C ATOM 516 C GLY A 62 11.032 -8.075 -1.313 1.00 0.00 C ATOM 517 O GLY A 62 11.261 -8.825 -2.242 1.00 0.00 O ATOM 0 H GLY A 62 13.443 -9.484 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.445 -7.631 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.749 -7.214 -0.344 1.00 0.00 H new ATOM 521 N PHE A 63 9.971 -7.306 -1.279 1.00 0.00 N ATOM 522 CA PHE A 63 8.993 -7.319 -2.414 1.00 0.00 C ATOM 523 C PHE A 63 8.287 -5.957 -2.510 1.00 0.00 C ATOM 524 O PHE A 63 8.013 -5.323 -1.507 1.00 0.00 O ATOM 525 CB PHE A 63 8.035 -8.515 -2.152 1.00 0.00 C ATOM 526 CG PHE A 63 6.950 -8.213 -1.130 1.00 0.00 C ATOM 527 CD1 PHE A 63 7.283 -7.761 0.152 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.607 -8.409 -1.475 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.271 -7.507 1.088 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.595 -8.151 -0.542 1.00 0.00 C ATOM 531 CZ PHE A 63 4.923 -7.702 0.739 1.00 0.00 C ATOM 0 H PHE A 63 9.739 -6.670 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 63 9.468 -7.460 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.566 -8.807 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.619 -9.369 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.318 -7.608 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.351 -8.760 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.527 -7.161 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.560 -8.299 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.143 -7.505 1.460 1.00 0.00 H new ATOM 541 N SER A 64 8.020 -5.501 -3.714 1.00 0.00 N ATOM 542 CA SER A 64 7.367 -4.168 -3.889 1.00 0.00 C ATOM 543 C SER A 64 5.886 -4.308 -4.243 1.00 0.00 C ATOM 544 O SER A 64 5.472 -5.264 -4.874 1.00 0.00 O ATOM 545 CB SER A 64 8.131 -3.503 -5.031 1.00 0.00 C ATOM 546 OG SER A 64 7.408 -2.363 -5.478 1.00 0.00 O ATOM 0 H SER A 64 8.227 -5.997 -4.581 1.00 0.00 H new ATOM 0 HA SER A 64 7.400 -3.584 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.126 -3.209 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.266 -4.207 -5.852 1.00 0.00 H new ATOM 0 HG SER A 64 7.015 -1.902 -4.708 1.00 0.00 H new ATOM 552 N LEU A 65 5.095 -3.347 -3.838 1.00 0.00 N ATOM 553 CA LEU A 65 3.632 -3.380 -4.135 1.00 0.00 C ATOM 554 C LEU A 65 3.199 -2.069 -4.800 1.00 0.00 C ATOM 555 O LEU A 65 3.785 -1.018 -4.572 1.00 0.00 O ATOM 556 CB LEU A 65 2.952 -3.542 -2.773 1.00 0.00 C ATOM 557 CG LEU A 65 3.391 -4.859 -2.130 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.821 -4.952 -0.712 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.869 -6.032 -2.963 1.00 0.00 C ATOM 0 H LEU A 65 5.405 -2.532 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 65 3.368 -4.186 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.212 -2.705 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.869 -3.528 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 65 4.480 -4.896 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.134 -5.891 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.190 -4.117 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.732 -4.915 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.181 -6.971 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.780 -5.993 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.273 -5.969 -3.973 1.00 0.00 H new ATOM 654 N SER A 71 -8.901 2.858 0.118 1.00 0.00 N ATOM 655 CA SER A 71 -10.382 2.726 0.311 1.00 0.00 C ATOM 656 C SER A 71 -10.789 3.388 1.637 1.00 0.00 C ATOM 657 O SER A 71 -11.058 4.578 1.660 1.00 0.00 O ATOM 658 CB SER A 71 -10.678 1.217 0.290 1.00 0.00 C ATOM 659 OG SER A 71 -9.615 0.508 0.917 1.00 0.00 O ATOM 0 HA SER A 71 -10.956 3.227 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.617 1.014 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.799 0.875 -0.738 1.00 0.00 H new ATOM 0 HG SER A 71 -9.842 0.341 1.856 1.00 0.00 H new ATOM 665 N LEU A 72 -10.817 2.655 2.740 1.00 0.00 N ATOM 666 CA LEU A 72 -11.183 3.283 4.047 1.00 0.00 C ATOM 667 C LEU A 72 -10.093 2.983 5.067 1.00 0.00 C ATOM 668 O LEU A 72 -9.970 1.872 5.522 1.00 0.00 O ATOM 669 CB LEU A 72 -12.536 2.648 4.452 1.00 0.00 C ATOM 670 CG LEU A 72 -12.963 2.939 5.932 1.00 0.00 C ATOM 671 CD1 LEU A 72 -12.345 1.901 6.870 1.00 0.00 C ATOM 672 CD2 LEU A 72 -12.558 4.351 6.417 1.00 0.00 C ATOM 0 H LEU A 72 -10.603 1.659 2.782 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.275 4.367 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.313 3.016 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.476 1.569 4.308 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.051 2.883 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.647 2.112 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.688 0.906 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.258 1.945 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.883 4.488 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.475 4.458 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.031 5.102 5.785 1.00 0.00 H new ATOM 684 N HIS A 73 -9.292 3.966 5.401 1.00 0.00 N ATOM 685 CA HIS A 73 -8.175 3.756 6.373 1.00 0.00 C ATOM 686 C HIS A 73 -8.498 4.374 7.737 1.00 0.00 C ATOM 687 O HIS A 73 -8.915 5.513 7.837 1.00 0.00 O ATOM 688 CB HIS A 73 -6.962 4.450 5.729 1.00 0.00 C ATOM 689 CG HIS A 73 -7.226 5.924 5.529 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.789 6.423 4.364 1.00 0.00 N ATOM 691 CD2 HIS A 73 -7.006 7.013 6.336 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.889 7.758 4.502 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.426 8.169 5.685 1.00 0.00 N ATOM 0 H HIS A 73 -9.366 4.916 5.037 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.995 2.698 6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.084 4.316 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.738 3.983 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.573 6.978 7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.294 8.416 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.388 9.126 6.036 1.00 0.00 H new ATOM 701 N ALA A 74 -8.300 3.609 8.784 1.00 0.00 N ATOM 702 CA ALA A 74 -8.581 4.107 10.161 1.00 0.00 C ATOM 703 C ALA A 74 -7.439 3.718 11.105 1.00 0.00 C ATOM 704 O ALA A 74 -6.966 2.592 11.087 1.00 0.00 O ATOM 705 CB ALA A 74 -9.876 3.407 10.572 1.00 0.00 C ATOM 0 H ALA A 74 -7.952 2.651 8.739 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.671 5.193 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.155 3.719 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.671 3.674 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.727 2.327 10.555 1.00 0.00 H new ATOM 711 N VAL A 75 -6.997 4.642 11.923 1.00 0.00 N ATOM 712 CA VAL A 75 -5.884 4.346 12.880 1.00 0.00 C ATOM 713 C VAL A 75 -6.421 4.206 14.312 1.00 0.00 C ATOM 714 O VAL A 75 -5.819 3.545 15.139 1.00 0.00 O ATOM 715 CB VAL A 75 -4.924 5.539 12.774 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.383 5.629 11.347 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.653 6.844 13.122 1.00 0.00 C ATOM 0 H VAL A 75 -7.361 5.594 11.969 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.387 3.406 12.641 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.103 5.394 13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.701 6.476 11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.851 4.710 11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.211 5.765 10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.959 7.681 13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.482 6.993 12.430 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.036 6.786 14.141 1.00 0.00 H new ATOM 876 N GLU A 85 -0.542 1.492 18.820 1.00 0.00 N ATOM 877 CA GLU A 85 -0.834 2.186 17.515 1.00 0.00 C ATOM 878 C GLU A 85 -0.943 1.171 16.364 1.00 0.00 C ATOM 879 O GLU A 85 -0.207 0.203 16.308 1.00 0.00 O ATOM 880 CB GLU A 85 0.342 3.152 17.282 1.00 0.00 C ATOM 881 CG GLU A 85 1.684 2.393 17.302 1.00 0.00 C ATOM 882 CD GLU A 85 2.437 2.649 18.618 1.00 0.00 C ATOM 883 OE1 GLU A 85 2.211 3.678 19.230 1.00 0.00 O ATOM 884 OE2 GLU A 85 3.229 1.799 18.991 1.00 0.00 O ATOM 0 HA GLU A 85 -1.786 2.715 17.551 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.219 3.658 16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.343 3.923 18.052 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.504 1.325 17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.298 2.709 16.459 1.00 0.00 H new ATOM 891 N HIS A 86 -1.883 1.375 15.464 1.00 0.00 N ATOM 892 CA HIS A 86 -2.075 0.413 14.326 1.00 0.00 C ATOM 893 C HIS A 86 -3.029 1.025 13.272 1.00 0.00 C ATOM 894 O HIS A 86 -4.094 1.504 13.620 1.00 0.00 O ATOM 895 CB HIS A 86 -2.692 -0.836 15.011 1.00 0.00 C ATOM 896 CG HIS A 86 -4.021 -0.491 15.642 1.00 0.00 C ATOM 897 ND1 HIS A 86 -5.185 -1.180 15.336 1.00 0.00 N ATOM 898 CD2 HIS A 86 -4.381 0.462 16.562 1.00 0.00 C ATOM 899 CE1 HIS A 86 -6.180 -0.636 16.058 1.00 0.00 C ATOM 900 NE2 HIS A 86 -5.744 0.370 16.823 1.00 0.00 N ATOM 0 H HIS A 86 -2.525 2.167 15.470 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.157 0.173 13.790 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.826 -1.631 14.278 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.009 -1.216 15.771 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.708 1.175 17.015 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.206 -0.971 16.024 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.293 0.946 17.461 1.00 0.00 H new ATOM 908 N LEU A 87 -2.657 1.022 11.992 1.00 0.00 N ATOM 909 CA LEU A 87 -3.555 1.615 10.952 1.00 0.00 C ATOM 910 C LEU A 87 -4.063 0.556 9.970 1.00 0.00 C ATOM 911 O LEU A 87 -3.307 0.045 9.176 1.00 0.00 O ATOM 912 CB LEU A 87 -2.668 2.642 10.230 1.00 0.00 C ATOM 913 CG LEU A 87 -3.455 3.390 9.143 1.00 0.00 C ATOM 914 CD1 LEU A 87 -2.760 4.722 8.858 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.480 2.568 7.848 1.00 0.00 C ATOM 0 H LEU A 87 -1.780 0.637 11.641 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.448 2.059 11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.272 3.356 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.813 2.136 9.781 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.475 3.553 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.310 5.262 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.731 5.320 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.743 4.535 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.040 3.108 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.460 2.404 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.958 1.607 8.037 1.00 0.00 H new ATOM 927 N TYR A 88 -5.347 0.248 9.985 1.00 0.00 N ATOM 928 CA TYR A 88 -5.868 -0.775 9.010 1.00 0.00 C ATOM 929 C TYR A 88 -6.774 -0.148 7.955 1.00 0.00 C ATOM 930 O TYR A 88 -7.653 0.628 8.304 1.00 0.00 O ATOM 931 CB TYR A 88 -6.598 -1.858 9.844 1.00 0.00 C ATOM 932 CG TYR A 88 -7.944 -1.385 10.368 1.00 0.00 C ATOM 933 CD1 TYR A 88 -7.985 -0.557 11.479 1.00 0.00 C ATOM 934 CD2 TYR A 88 -9.136 -1.790 9.748 1.00 0.00 C ATOM 935 CE1 TYR A 88 -9.199 -0.120 11.989 1.00 0.00 C ATOM 936 CE2 TYR A 88 -10.366 -1.349 10.255 1.00 0.00 C ATOM 937 CZ TYR A 88 -10.397 -0.510 11.379 1.00 0.00 C ATOM 938 OH TYR A 88 -11.606 -0.076 11.885 1.00 0.00 O ATOM 0 H TYR A 88 -6.041 0.650 10.615 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.048 -1.221 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.743 -2.747 9.230 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.968 -2.150 10.684 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.064 -0.249 11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.106 -2.438 8.885 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.220 0.522 12.857 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.288 -1.654 9.782 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.337 -0.439 11.342 1.00 0.00 H new ATOM 948 N VAL A 89 -6.601 -0.489 6.668 1.00 0.00 N ATOM 949 CA VAL A 89 -7.524 0.110 5.641 1.00 0.00 C ATOM 950 C VAL A 89 -8.408 -0.966 4.977 1.00 0.00 C ATOM 951 O VAL A 89 -7.919 -1.919 4.389 1.00 0.00 O ATOM 952 CB VAL A 89 -6.682 0.914 4.601 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.639 1.791 5.336 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.922 -0.028 3.656 1.00 0.00 C ATOM 0 H VAL A 89 -5.890 -1.128 6.312 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.212 0.798 6.132 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.372 1.530 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.054 2.350 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.152 2.487 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.976 1.154 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.345 0.560 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.248 -0.659 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.633 -0.655 3.118 1.00 0.00 H new ATOM 964 N MET A 90 -9.699 -0.813 5.078 1.00 0.00 N ATOM 965 CA MET A 90 -10.632 -1.820 4.482 1.00 0.00 C ATOM 966 C MET A 90 -10.835 -1.515 2.998 1.00 0.00 C ATOM 967 O MET A 90 -11.178 -0.404 2.629 1.00 0.00 O ATOM 968 CB MET A 90 -11.920 -1.678 5.299 1.00 0.00 C ATOM 969 CG MET A 90 -11.621 -2.053 6.762 1.00 0.00 C ATOM 970 SD MET A 90 -13.171 -2.404 7.631 1.00 0.00 S ATOM 971 CE MET A 90 -13.835 -0.722 7.618 1.00 0.00 C ATOM 0 H MET A 90 -10.154 -0.031 5.549 1.00 0.00 H new ATOM 0 HA MET A 90 -10.260 -2.844 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.294 -0.656 5.240 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.697 -2.326 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.967 -2.924 6.798 1.00 0.00 H new ATOM 0 HG3 MET A 90 -11.093 -1.238 7.256 1.00 0.00 H new ATOM 0 HE1 MET A 90 -14.723 -0.677 8.248 1.00 0.00 H new ATOM 0 HE2 MET A 90 -13.083 -0.031 8.000 1.00 0.00 H new ATOM 0 HE3 MET A 90 -14.099 -0.443 6.598 1.00 0.00 H new ATOM 981 N VAL A 91 -10.589 -2.491 2.142 1.00 0.00 N ATOM 982 CA VAL A 91 -10.724 -2.254 0.673 1.00 0.00 C ATOM 983 C VAL A 91 -11.614 -3.314 0.006 1.00 0.00 C ATOM 984 O VAL A 91 -11.532 -4.497 0.301 1.00 0.00 O ATOM 985 CB VAL A 91 -9.283 -2.325 0.141 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.681 -3.711 0.410 1.00 0.00 C ATOM 987 CG2 VAL A 91 -9.272 -2.050 -1.367 1.00 0.00 C ATOM 0 H VAL A 91 -10.302 -3.434 2.404 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.202 -1.299 0.456 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.685 -1.572 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.661 -3.745 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.673 -3.902 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.281 -4.472 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.249 -2.101 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.881 -2.796 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.678 -1.057 -1.559 1.00 0.00 H new ATOM 997 N ASN A 92 -12.444 -2.885 -0.913 1.00 0.00 N ATOM 998 CA ASN A 92 -13.335 -3.835 -1.643 1.00 0.00 C ATOM 999 C ASN A 92 -12.716 -4.169 -3.004 1.00 0.00 C ATOM 1000 O ASN A 92 -12.417 -3.286 -3.788 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.657 -3.088 -1.819 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.293 -2.845 -0.448 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.602 -2.599 0.519 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -16.591 -2.905 -0.325 1.00 0.00 N ATOM 0 H ASN A 92 -12.542 -1.908 -1.190 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.476 -4.775 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.486 -2.138 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.333 -3.667 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.025 -2.745 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.171 -3.112 -1.138 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.516 -5.437 -3.281 1.00 0.00 N ATOM 1012 CA ALA A 93 -11.905 -5.847 -4.582 1.00 0.00 C ATOM 1013 C ALA A 93 -12.970 -6.442 -5.506 1.00 0.00 C ATOM 1014 O ALA A 93 -13.842 -7.170 -5.072 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.862 -6.902 -4.215 1.00 0.00 C ATOM 0 H ALA A 93 -12.752 -6.208 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.463 -5.004 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.367 -7.255 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.123 -6.465 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.351 -7.740 -3.719 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.241 -11.441 -1.435 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.298 -10.383 -2.478 1.00 0.00 C ATOM 1322 C PRO A 115 -14.524 -9.140 -2.022 1.00 0.00 C ATOM 1323 O PRO A 115 -14.002 -8.396 -2.833 1.00 0.00 O ATOM 1324 CB PRO A 115 -16.786 -10.077 -2.610 1.00 0.00 C ATOM 1325 CG PRO A 115 -17.380 -10.473 -1.297 1.00 0.00 C ATOM 1326 CD PRO A 115 -16.547 -11.607 -0.763 1.00 0.00 C ATOM 0 HA PRO A 115 -14.850 -10.693 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.955 -9.020 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.233 -10.638 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -17.378 -9.632 -0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -18.418 -10.782 -1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -16.447 -11.553 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.994 -12.574 -0.994 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.453 -8.918 -0.731 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.716 -7.727 -0.200 1.00 0.00 C ATOM 1336 C ILE A 116 -12.477 -8.187 0.574 1.00 0.00 C ATOM 1337 O ILE A 116 -12.514 -9.177 1.282 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.708 -7.014 0.732 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.956 -6.605 -0.060 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.059 -5.757 1.330 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -17.015 -6.064 0.901 1.00 0.00 C ATOM 0 H ILE A 116 -14.876 -9.513 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.371 -7.065 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.987 -7.695 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.698 -5.846 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.350 -7.462 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.770 -5.259 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.174 -6.040 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.772 -5.078 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.902 -5.773 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.280 -6.837 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.619 -5.196 1.428 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.388 -7.465 0.446 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.141 -7.837 1.169 1.00 0.00 C ATOM 1355 C ALA A 117 -9.817 -6.762 2.201 1.00 0.00 C ATOM 1356 O ALA A 117 -10.003 -5.576 1.944 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.064 -7.884 0.087 1.00 0.00 C ATOM 0 H ALA A 117 -11.315 -6.629 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.223 -8.785 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.108 -8.152 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.334 -8.628 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -8.981 -6.906 -0.386 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.330 -7.154 3.364 1.00 0.00 N ATOM 1364 CA GLU A 118 -8.992 -6.126 4.399 1.00 0.00 C ATOM 1365 C GLU A 118 -7.491 -5.888 4.419 1.00 0.00 C ATOM 1366 O GLU A 118 -6.738 -6.732 4.861 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.463 -6.690 5.741 1.00 0.00 C ATOM 1368 CG GLU A 118 -10.902 -6.245 6.008 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.387 -6.827 7.340 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.966 -7.921 7.675 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.170 -6.166 7.999 1.00 0.00 O ATOM 0 H GLU A 118 -9.157 -8.123 3.633 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.474 -5.172 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.404 -7.778 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.810 -6.343 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.957 -5.157 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.551 -6.577 5.198 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.054 -4.732 3.978 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.597 -4.428 4.005 1.00 0.00 C ATOM 1380 C PHE A 119 -5.337 -3.749 5.324 1.00 0.00 C ATOM 1381 O PHE A 119 -5.974 -2.766 5.633 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.349 -3.464 2.825 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.908 -2.967 2.817 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.469 -2.040 3.780 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -3.013 -3.415 1.838 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.164 -1.578 3.770 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.691 -2.942 1.832 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.276 -2.022 2.805 1.00 0.00 C ATOM 0 H PHE A 119 -7.646 -3.991 3.602 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.950 -5.301 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.568 -3.971 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -6.029 -2.615 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.156 -1.686 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.339 -4.122 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.838 -0.869 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.996 -3.286 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.259 -1.658 2.802 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.410 -4.252 6.098 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.126 -3.596 7.403 1.00 0.00 C ATOM 1400 C ARG A 120 -2.631 -3.402 7.572 1.00 0.00 C ATOM 1401 O ARG A 120 -1.893 -4.361 7.607 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.687 -4.555 8.476 1.00 0.00 C ATOM 1403 CG ARG A 120 -6.163 -4.901 8.204 1.00 0.00 C ATOM 1404 CD ARG A 120 -6.852 -5.277 9.518 1.00 0.00 C ATOM 1405 NE ARG A 120 -8.262 -5.577 9.141 1.00 0.00 N ATOM 1406 CZ ARG A 120 -8.990 -6.351 9.901 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -9.604 -5.852 10.940 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -9.106 -7.619 9.622 1.00 0.00 N ATOM 0 H ARG A 120 -3.847 -5.075 5.885 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.582 -2.609 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -4.095 -5.470 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.595 -4.096 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.668 -4.050 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -6.229 -5.728 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.375 -6.141 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.801 -4.460 10.238 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.659 -5.178 8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.515 -4.859 11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.173 -6.455 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.628 -8.008 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.675 -8.222 10.216 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.169 -2.172 7.723 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.701 -1.956 7.927 1.00 0.00 C ATOM 1424 C PHE A 121 -0.532 -1.269 9.262 1.00 0.00 C ATOM 1425 O PHE A 121 -0.910 -0.117 9.454 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.244 -1.097 6.741 1.00 0.00 C ATOM 1427 CG PHE A 121 0.408 -1.978 5.670 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.148 -3.217 5.292 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.590 -1.559 5.069 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.466 -4.019 4.339 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.207 -2.364 4.097 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.638 -3.601 3.738 1.00 0.00 C ATOM 0 H PHE A 121 -2.739 -1.326 7.713 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.104 -2.867 7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.097 -0.567 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.464 -0.341 7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.067 -3.548 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.033 -0.615 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 121 0.028 -4.968 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.120 -2.033 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 121 2.116 -4.222 2.995 1.00 0.00 H new ATOM 1442 N VAL A 122 -0.016 -1.991 10.215 1.00 0.00 N ATOM 1443 CA VAL A 122 0.084 -1.432 11.587 1.00 0.00 C ATOM 1444 C VAL A 122 1.455 -1.724 12.248 1.00 0.00 C ATOM 1445 O VAL A 122 1.864 -2.869 12.335 1.00 0.00 O ATOM 1446 CB VAL A 122 -1.091 -2.120 12.328 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -2.463 -1.782 11.656 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -0.899 -3.645 12.345 1.00 0.00 C ATOM 0 H VAL A 122 0.339 -2.941 10.103 1.00 0.00 H new ATOM 0 HA VAL A 122 0.020 -0.344 11.608 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.098 -1.741 13.350 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.267 -2.280 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.623 -0.704 11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.456 -2.127 10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.733 -4.111 12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.860 -4.018 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.032 -3.889 12.856 1.00 0.00 H new ATOM 1458 N PRO A 123 2.141 -0.673 12.701 1.00 0.00 N ATOM 1459 CA PRO A 123 3.448 -0.853 13.357 1.00 0.00 C ATOM 1460 C PRO A 123 3.292 -0.913 14.876 1.00 0.00 C ATOM 1461 O PRO A 123 2.361 -0.362 15.434 1.00 0.00 O ATOM 1462 CB PRO A 123 4.202 0.414 12.971 1.00 0.00 C ATOM 1463 CG PRO A 123 3.147 1.453 12.708 1.00 0.00 C ATOM 1464 CD PRO A 123 1.805 0.759 12.639 1.00 0.00 C ATOM 0 HA PRO A 123 3.947 -1.775 13.059 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.871 0.730 13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.818 0.249 12.087 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.147 2.203 13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.353 1.975 11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.160 1.054 13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.275 1.005 11.719 1.00 0.00 H new ATOM 1472 N SER A 124 4.219 -1.558 15.542 1.00 0.00 N ATOM 1473 CA SER A 124 4.165 -1.643 17.033 1.00 0.00 C ATOM 1474 C SER A 124 5.070 -0.564 17.647 1.00 0.00 C ATOM 1475 O SER A 124 5.590 -0.727 18.736 1.00 0.00 O ATOM 1476 CB SER A 124 4.687 -3.039 17.370 1.00 0.00 C ATOM 1477 OG SER A 124 4.223 -3.416 18.660 1.00 0.00 O ATOM 0 H SER A 124 5.014 -2.031 15.113 1.00 0.00 H new ATOM 0 HA SER A 124 3.161 -1.483 17.425 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.346 -3.757 16.624 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.777 -3.048 17.346 1.00 0.00 H new ATOM 0 HG SER A 124 4.450 -2.715 19.307 1.00 0.00 H new ATOM 1483 N ASP A 125 5.262 0.536 16.949 1.00 0.00 N ATOM 1484 CA ASP A 125 6.133 1.635 17.470 1.00 0.00 C ATOM 1485 C ASP A 125 5.435 2.983 17.332 1.00 0.00 C ATOM 1486 O ASP A 125 5.003 3.362 16.260 1.00 0.00 O ATOM 1487 CB ASP A 125 7.390 1.587 16.600 1.00 0.00 C ATOM 1488 CG ASP A 125 8.608 1.965 17.442 1.00 0.00 C ATOM 1489 OD1 ASP A 125 8.757 1.408 18.519 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.374 2.806 16.998 1.00 0.00 O ATOM 0 H ASP A 125 4.848 0.717 16.035 1.00 0.00 H new ATOM 0 HA ASP A 125 6.362 1.511 18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 125 7.519 0.588 16.183 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.289 2.273 15.759 1.00 0.00 H new ATOM 1495 N LYS A 126 5.336 3.727 18.418 1.00 0.00 N ATOM 1496 CA LYS A 126 4.677 5.079 18.363 1.00 0.00 C ATOM 1497 C LYS A 126 5.403 5.959 17.337 1.00 0.00 C ATOM 1498 O LYS A 126 4.798 6.754 16.639 1.00 0.00 O ATOM 1499 CB LYS A 126 4.798 5.660 19.784 1.00 0.00 C ATOM 1500 CG LYS A 126 6.272 5.802 20.189 1.00 0.00 C ATOM 1501 CD LYS A 126 6.359 6.309 21.630 1.00 0.00 C ATOM 1502 CE LYS A 126 6.089 5.154 22.595 1.00 0.00 C ATOM 1503 NZ LYS A 126 5.326 5.762 23.721 1.00 0.00 N ATOM 0 H LYS A 126 5.683 3.455 19.338 1.00 0.00 H new ATOM 0 HA LYS A 126 3.633 5.024 18.056 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.309 6.633 19.827 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.282 5.012 20.492 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.779 4.841 20.099 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.780 6.494 19.517 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.346 6.731 21.819 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.634 7.107 21.790 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.516 4.362 22.112 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.019 4.706 22.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.104 5.030 24.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.899 6.508 24.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.442 6.174 23.359 1.00 0.00 H new ATOM 1517 N SER A 127 6.696 5.773 17.231 1.00 0.00 N ATOM 1518 CA SER A 127 7.491 6.545 16.236 1.00 0.00 C ATOM 1519 C SER A 127 7.120 6.060 14.835 1.00 0.00 C ATOM 1520 O SER A 127 7.128 6.828 13.885 1.00 0.00 O ATOM 1521 CB SER A 127 8.959 6.240 16.543 1.00 0.00 C ATOM 1522 OG SER A 127 9.788 7.048 15.721 1.00 0.00 O ATOM 0 H SER A 127 7.234 5.116 17.795 1.00 0.00 H new ATOM 0 HA SER A 127 7.302 7.617 16.286 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.170 6.434 17.595 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.168 5.185 16.365 1.00 0.00 H new ATOM 0 HG SER A 127 10.729 6.856 15.916 1.00 0.00 H new ATOM 1528 N ALA A 128 6.783 4.790 14.705 1.00 0.00 N ATOM 1529 CA ALA A 128 6.395 4.254 13.361 1.00 0.00 C ATOM 1530 C ALA A 128 5.022 4.799 12.959 1.00 0.00 C ATOM 1531 O ALA A 128 4.786 5.117 11.804 1.00 0.00 O ATOM 1532 CB ALA A 128 6.343 2.734 13.520 1.00 0.00 C ATOM 0 H ALA A 128 6.761 4.112 15.467 1.00 0.00 H new ATOM 0 HA ALA A 128 7.101 4.549 12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.064 2.278 12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.323 2.366 13.825 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.605 2.473 14.278 1.00 0.00 H new ATOM 1538 N LEU A 129 4.119 4.909 13.907 1.00 0.00 N ATOM 1539 CA LEU A 129 2.750 5.435 13.595 1.00 0.00 C ATOM 1540 C LEU A 129 2.821 6.914 13.208 1.00 0.00 C ATOM 1541 O LEU A 129 2.209 7.328 12.237 1.00 0.00 O ATOM 1542 CB LEU A 129 1.931 5.257 14.875 1.00 0.00 C ATOM 1543 CG LEU A 129 0.474 5.640 14.604 1.00 0.00 C ATOM 1544 CD1 LEU A 129 -0.271 4.442 14.008 1.00 0.00 C ATOM 1545 CD2 LEU A 129 -0.197 6.060 15.916 1.00 0.00 C ATOM 0 H LEU A 129 4.271 4.657 14.884 1.00 0.00 H new ATOM 0 HA LEU A 129 2.300 4.905 12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.989 4.223 15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.340 5.879 15.671 1.00 0.00 H new ATOM 0 HG LEU A 129 0.444 6.470 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.308 4.717 13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.205 4.146 13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.241 3.609 14.710 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.235 6.333 15.723 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.165 5.231 16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.331 6.916 16.337 1.00 0.00 H new ATOM 1557 N GLU A 130 3.561 7.711 13.954 1.00 0.00 N ATOM 1558 CA GLU A 130 3.667 9.166 13.620 1.00 0.00 C ATOM 1559 C GLU A 130 4.365 9.339 12.266 1.00 0.00 C ATOM 1560 O GLU A 130 4.039 10.233 11.503 1.00 0.00 O ATOM 1561 CB GLU A 130 4.472 9.806 14.761 1.00 0.00 C ATOM 1562 CG GLU A 130 5.882 9.215 14.837 1.00 0.00 C ATOM 1563 CD GLU A 130 6.695 9.979 15.886 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.117 10.370 16.886 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.881 10.159 15.669 1.00 0.00 O ATOM 0 H GLU A 130 4.091 7.414 14.773 1.00 0.00 H new ATOM 0 HA GLU A 130 2.690 9.642 13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.533 10.883 14.608 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.956 9.648 15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.832 8.158 15.098 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.369 9.280 13.864 1.00 0.00 H new ATOM 1572 N ALA A 131 5.307 8.475 11.958 1.00 0.00 N ATOM 1573 CA ALA A 131 6.017 8.567 10.641 1.00 0.00 C ATOM 1574 C ALA A 131 5.029 8.264 9.516 1.00 0.00 C ATOM 1575 O ALA A 131 4.973 8.966 8.518 1.00 0.00 O ATOM 1576 CB ALA A 131 7.121 7.506 10.689 1.00 0.00 C ATOM 0 H ALA A 131 5.613 7.712 12.561 1.00 0.00 H new ATOM 0 HA ALA A 131 6.433 9.558 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.680 7.520 9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.795 7.720 11.518 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.674 6.522 10.830 1.00 0.00 H new ATOM 1582 N MET A 132 4.233 7.233 9.687 1.00 0.00 N ATOM 1583 CA MET A 132 3.220 6.876 8.644 1.00 0.00 C ATOM 1584 C MET A 132 2.195 8.004 8.539 1.00 0.00 C ATOM 1585 O MET A 132 1.715 8.321 7.467 1.00 0.00 O ATOM 1586 CB MET A 132 2.553 5.586 9.134 1.00 0.00 C ATOM 1587 CG MET A 132 1.663 5.020 8.027 1.00 0.00 C ATOM 1588 SD MET A 132 0.810 3.543 8.635 1.00 0.00 S ATOM 1589 CE MET A 132 0.142 2.998 7.045 1.00 0.00 C ATOM 0 H MET A 132 4.242 6.624 10.505 1.00 0.00 H new ATOM 0 HA MET A 132 3.666 6.736 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.312 4.855 9.414 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.959 5.787 10.026 1.00 0.00 H new ATOM 0 HG2 MET A 132 0.936 5.769 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 132 2.265 4.772 7.153 1.00 0.00 H new ATOM 0 HE1 MET A 132 -0.310 2.013 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 132 -0.613 3.707 6.705 1.00 0.00 H new ATOM 0 HE3 MET A 132 0.946 2.945 6.311 1.00 0.00 H new ATOM 1599 N PHE A 133 1.867 8.612 9.654 1.00 0.00 N ATOM 1600 CA PHE A 133 0.878 9.736 9.649 1.00 0.00 C ATOM 1601 C PHE A 133 1.433 10.896 8.859 1.00 0.00 C ATOM 1602 O PHE A 133 0.715 11.541 8.120 1.00 0.00 O ATOM 1603 CB PHE A 133 0.651 10.090 11.136 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.238 9.050 11.858 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.646 7.839 11.238 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.648 9.313 13.172 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.445 6.925 11.930 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.451 8.393 13.860 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.849 7.201 13.240 1.00 0.00 C ATOM 0 H PHE A 133 2.244 8.376 10.572 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.067 9.471 9.175 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.614 10.156 11.643 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.186 11.073 11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.337 7.623 10.226 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.344 10.229 13.657 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.751 6.005 11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.764 8.604 14.872 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.468 6.495 13.774 1.00 0.00 H new ATOM 1619 N THR A 134 2.715 11.138 8.977 1.00 0.00 N ATOM 1620 CA THR A 134 3.341 12.231 8.181 1.00 0.00 C ATOM 1621 C THR A 134 3.294 11.821 6.707 1.00 0.00 C ATOM 1622 O THR A 134 3.111 12.646 5.831 1.00 0.00 O ATOM 1623 CB THR A 134 4.787 12.340 8.677 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.788 12.554 10.081 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.482 13.508 7.977 1.00 0.00 C ATOM 0 H THR A 134 3.351 10.626 9.589 1.00 0.00 H new ATOM 0 HA THR A 134 2.833 13.189 8.289 1.00 0.00 H new ATOM 0 HB THR A 134 5.321 11.417 8.450 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.616 11.706 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.510 13.584 8.331 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.480 13.340 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.952 14.434 8.201 1.00 0.00 H new ATOM 1633 N ALA A 135 3.436 10.537 6.441 1.00 0.00 N ATOM 1634 CA ALA A 135 3.374 10.051 5.026 1.00 0.00 C ATOM 1635 C ALA A 135 1.945 10.185 4.490 1.00 0.00 C ATOM 1636 O ALA A 135 1.720 10.689 3.403 1.00 0.00 O ATOM 1637 CB ALA A 135 3.788 8.577 5.078 1.00 0.00 C ATOM 0 H ALA A 135 3.591 9.812 7.142 1.00 0.00 H new ATOM 0 HA ALA A 135 4.024 10.627 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.765 8.157 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.797 8.497 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.097 8.027 5.717 1.00 0.00 H new ATOM 1643 N MET A 136 0.980 9.743 5.264 1.00 0.00 N ATOM 1644 CA MET A 136 -0.450 9.837 4.832 1.00 0.00 C ATOM 1645 C MET A 136 -0.912 11.292 4.868 1.00 0.00 C ATOM 1646 O MET A 136 -1.516 11.783 3.932 1.00 0.00 O ATOM 1647 CB MET A 136 -1.243 9.001 5.842 1.00 0.00 C ATOM 1648 CG MET A 136 -2.710 8.940 5.418 1.00 0.00 C ATOM 1649 SD MET A 136 -2.916 7.674 4.139 1.00 0.00 S ATOM 1650 CE MET A 136 -3.259 6.286 5.248 1.00 0.00 C ATOM 0 H MET A 136 1.124 9.319 6.181 1.00 0.00 H new ATOM 0 HA MET A 136 -0.592 9.476 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.829 7.994 5.901 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.159 9.439 6.837 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.339 8.709 6.278 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.031 9.910 5.039 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.421 5.382 4.660 1.00 0.00 H new ATOM 0 HE2 MET A 136 -2.411 6.137 5.917 1.00 0.00 H new ATOM 0 HE3 MET A 136 -4.151 6.502 5.836 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.623 11.982 5.947 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.038 13.421 6.063 1.00 0.00 C ATOM 1662 C CYS A 137 -0.412 14.245 4.934 1.00 0.00 C ATOM 1663 O CYS A 137 -1.051 15.106 4.360 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.512 13.894 7.423 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.205 15.522 7.803 1.00 0.00 S ATOM 0 H CYS A 137 -0.118 11.613 6.753 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.119 13.538 5.987 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.786 13.180 8.200 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.577 13.945 7.406 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.762 15.924 8.957 1.00 0.00 H new ATOM 1671 N GLU A 138 0.833 13.971 4.610 1.00 0.00 N ATOM 1672 CA GLU A 138 1.512 14.727 3.509 1.00 0.00 C ATOM 1673 C GLU A 138 0.875 14.372 2.171 1.00 0.00 C ATOM 1674 O GLU A 138 0.644 15.222 1.329 1.00 0.00 O ATOM 1675 CB GLU A 138 2.978 14.284 3.545 1.00 0.00 C ATOM 1676 CG GLU A 138 3.778 15.082 2.513 1.00 0.00 C ATOM 1677 CD GLU A 138 5.216 14.565 2.466 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.402 13.370 2.637 1.00 0.00 O ATOM 1679 OE2 GLU A 138 6.109 15.371 2.259 1.00 0.00 O ATOM 0 H GLU A 138 1.406 13.257 5.061 1.00 0.00 H new ATOM 0 HA GLU A 138 1.422 15.806 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.392 14.440 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.052 13.217 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.316 14.990 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.770 16.141 2.772 1.00 0.00 H new ATOM 1686 N CYS A 139 0.583 13.115 1.991 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.057 12.656 0.716 1.00 0.00 C ATOM 1688 C CYS A 139 -1.465 13.247 0.603 1.00 0.00 C ATOM 1689 O CYS A 139 -1.862 13.729 -0.443 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.122 11.129 0.815 1.00 0.00 C ATOM 1691 SG CYS A 139 1.518 10.435 0.494 1.00 0.00 S ATOM 0 H CYS A 139 0.759 12.377 2.673 1.00 0.00 H new ATOM 0 HA CYS A 139 0.502 12.975 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.467 10.832 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.842 10.737 0.096 1.00 0.00 H new ATOM 0 HG CYS A 139 2.139 10.249 1.621 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.213 13.213 1.681 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.602 13.777 1.660 1.00 0.00 C ATOM 1699 C GLN A 140 -3.547 15.284 1.413 1.00 0.00 C ATOM 1700 O GLN A 140 -4.378 15.835 0.715 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.189 13.487 3.047 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.090 12.254 2.978 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.739 12.018 4.332 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.461 12.855 4.836 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.505 10.896 4.942 1.00 0.00 N ATOM 0 H GLN A 140 -1.922 12.819 2.575 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.208 13.337 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.386 13.323 3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.759 14.347 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.857 12.394 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.506 11.381 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.898 10.199 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.929 10.712 5.851 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.568 15.947 1.982 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.440 17.427 1.788 1.00 0.00 C ATOM 1716 C ALA A 141 -2.129 17.735 0.323 1.00 0.00 C ATOM 1717 O ALA A 141 -2.676 18.658 -0.256 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.279 17.866 2.686 1.00 0.00 C ATOM 0 H ALA A 141 -1.851 15.526 2.573 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.360 17.952 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.132 18.942 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -1.509 17.621 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.369 17.347 2.384 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.257 16.959 -0.281 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.902 17.190 -1.720 1.00 0.00 C ATOM 1726 C LEU A 142 -2.108 16.886 -2.612 1.00 0.00 C ATOM 1727 O LEU A 142 -2.317 17.532 -3.624 1.00 0.00 O ATOM 1728 CB LEU A 142 0.247 16.226 -2.023 1.00 0.00 C ATOM 1729 CG LEU A 142 1.595 16.951 -1.819 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.236 16.495 -0.508 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.535 16.629 -2.983 1.00 0.00 C ATOM 0 H LEU A 142 -0.776 16.176 0.161 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.614 18.224 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.188 15.356 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.169 15.861 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 142 1.419 18.026 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.187 17.010 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.571 16.730 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.408 15.419 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.485 17.142 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.706 15.553 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.084 16.962 -3.918 1.00 0.00 H new